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martin-steinegger committed Nov 18, 2024
1 parent 15050d8 commit 0b6d456
Showing 1 changed file with 2 additions and 3 deletions.
5 changes: 2 additions & 3 deletions Boltz1.ipynb
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"colab": {
"provenance": [],
"machine_shape": "hm",
"gpuType": "A100",
"authorship_tag": "ABX9TyOQII3DEBf33DR8Jfw5yz60",
"gpuType": "T4",
"include_colab_link": true
},
"kernelspec": {
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" return x + \"_\" + hashlib.sha1(y.encode()).hexdigest()[:5]\n",
"\n",
"# User inputs\n",
"query_sequence = 'PIAQIHILEGRSDEQKETLIREVSEAISRSLDAPLTSVRVIITEMAKGHFGIGGELASKKK' #@param {type:\"string\"}\n",
"query_sequence = 'PIAQIHILEGRSDEQKETLIREVSEAISRSLDAPLTSVRVIITEMAKGHFGIGGELASKK' #@param {type:\"string\"}\n",
"#@markdown - Use `:` to specify inter-protein chainbreaks for **modeling complexes** (supports homo- and hetro-oligomers). For example **PI...SK:PI...SK** for a homodimer\n",
"ligand_input = 'N[C@@H](Cc1ccc(O)cc1)C(=O)O' #@param {type:\"string\"}\n",
"#@markdown - Use `:` to specify multiple ligands as smile strings\n",
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